The vision for the predictive simulation center (PSC) is to revolutionize predictive science by unraveling and leveraging the critical influence of small scales on emergent behaviors across various…

The National Nuclear Security Administration (NNSA) awarded the University of Michigan a Cooperative Agreement valued at $5.44 million under the Predictive Science Academic Alliance Program (CFDA 81.124) on September 22, 2025, with a completion date of September 21, 2030. The award funds the establishment of the Predictive Simulation Center (PSC), which will develop sophisticated autonomous artificial intelligence (AI) agents and advanced inner-and-outer-loop algorithms to revolutionize predictive science methodologies. The center's primary application focus is rotating detonation combusters (RDCs)—a multiscale physics challenge relevant to NNSA's national security mission. Deliverables include AI-driven frameworks designed to systematically refine combinations of physics, simulations, algorithms, and computing infrastructure, thereby significantly reducing the time required to translate scientific inquiries into actionable predictive insights for complex applications including nonequilibrium multimaterial interface evolution and turbulence modeling.

The PSC will incorporate a sub-award to Princeton University's Office of Research and Project Administration (awarded January 5, 2026) focused on verification and validation research. Princeton's contribution will deliver machine-checked proofs verifying that C programs correctly implement functional models of scientific algorithms such as linear solvers, validate that functional models accurately approximate solutions to specified numerical problems, and explore mixed-precision algorithms within the verification framework. These coordinated efforts align with PSAAP IV's emphasis on leveraging artificial intelligence and machine learning to enhance quantified predictive capabilities for high-performance computing applications supporting the NNSA laboratory complex.

The vision for the predictive simulation center (PSC) is to revolutionize predictive science by unraveling and leveraging the critical influence of small scales on emergent behaviors across various physical regimes. The target application is a rotating detonation combuster (RDC), a multiscale problem with a rich set of science challenges relevant to nnsa. The university of michigan aims to transform how complex applications, from nonequilibrium multimaterial interface evolution to turbulence, are investigated by developing sophisticated autonomous artificial intelligence (AI) agents leveraging new inner-and-outer-loop algorithms. The AI-driven frameworks will systematically refine the combinations of physics, simulations, algorithms, and computing infrastructure, significantly reducing the time from initial scientific inquiries to actionable predictive insights.